#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1spw s ASP 2 N 0.00 1.61 -0.21 7.83 -1.08 -1.26 -5.02 116.67 118.54 1spw s ASP 2 Ca 0.00 -0.34 -0.21 0.00 -0.52 0.00 0.00 52.55 51.48 1spw s ASP 2 Cb 0.00 0.26 0.06 0.00 -1.46 0.00 0.00 42.92 41.78 1spw s ASP 2 CO 0.00 -0.34 0.60 -0.63 0.52 0.00 0.00 175.17 175.32 1spw s ILE 3 N 2.29 0.00 -0.60 4.11 1.09 -1.26 -4.28 121.20 122.55 1spw s ILE 3 Ca 0.06 -0.01 -0.00 0.00 -1.10 0.00 0.00 60.65 59.59 1spw s ILE 3 Cb -0.16 -0.84 0.15 0.00 -1.06 0.00 0.00 42.46 40.55 1spw s ILE 3 CO -0.13 -0.01 0.39 -0.31 -0.10 0.00 0.00 174.94 174.78 1spw s TYR 4 N 0.18 3.33 -0.29 3.97 2.02 -1.25 -3.71 117.35 121.59 1spw s TYR 4 Ca -0.01 -2.89 -0.15 0.00 -0.37 0.00 0.00 57.07 53.65 1spw s TYR 4 Cb -0.04 -3.07 -0.03 0.00 -0.40 0.00 0.00 41.96 38.42 1spw s TYR 4 CO 0.01 -0.80 0.36 0.08 -1.57 0.00 0.00 175.55 173.63 1spw s VAL 5 N -0.20 5.18 0.65 0.71 1.01 -1.25 -2.59 120.40 123.92 1spw s VAL 5 Ca 0.17 0.39 -0.18 0.00 0.00 0.00 0.00 61.98 62.36 1spw s VAL 5 Cb -0.22 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.42 1spw s VAL 5 CO -0.02 0.08 1.18 0.00 0.00 0.00 0.00 175.10 176.34 1spw n THR 7 N -1.99 2.01 -0.04 0.00 -2.24 -1.25 -2.95 114.28 107.82 1spw n THR 7 Ca 0.15 -1.62 -0.09 0.00 -2.27 0.00 0.00 64.05 60.22 1spw n THR 7 Cb 0.48 -0.07 -0.03 0.00 -2.10 0.00 0.00 70.33 68.61 1spw n THR 7 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1spw n VAL 8 N -0.12 0.78 -0.02 2.28 0.31 -1.26 -4.79 118.33 115.51 1spw n VAL 8 Ca 0.20 -0.03 0.04 0.00 -0.01 0.00 0.00 64.34 64.54 1spw n VAL 8 Cb 0.81 -1.70 -0.10 0.00 -0.91 0.00 0.00 33.84 31.94 1spw n VAL 8 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1spw n GLY 10 N 1.87 0.74 3.56 0.00 0.00 -1.15 -5.04 105.19 105.17 1spw n GLY 10 Ca -0.05 -0.57 -0.36 0.00 0.00 0.00 0.00 46.02 45.04 1spw n GLY 10 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1spw n TYR 11 N -2.54 0.15 -4.70 1.61 9.36 -1.26 -4.58 117.16 115.20 1spw n TYR 11 Ca 0.00 0.39 -0.32 0.00 3.32 0.00 0.00 57.90 61.29 1spw n TYR 11 Cb 0.04 -2.03 -0.17 0.00 -0.63 0.00 0.00 39.34 36.55 1spw n TYR 11 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 1spw s GLU 12 N -2.98 2.96 0.38 2.98 8.01 -1.26 -1.03 118.70 127.75 1spw s GLU 12 Ca 0.71 -0.83 0.08 0.00 0.01 0.00 0.00 54.97 54.94 1spw s GLU 12 Cb -0.36 -2.38 -0.06 0.00 -4.31 0.00 0.00 34.13 27.02 1spw s GLU 12 CO 0.52 -0.00 0.05 -0.47 0.01 0.00 0.00 175.26 175.37 1spw s TYR 13 N 0.78 2.54 -0.35 1.61 5.04 -1.07 -5.02 117.35 120.90 1spw s TYR 13 Ca -0.08 -0.55 -0.00 0.00 -2.44 0.00 0.00 57.07 54.00 1spw s TYR 13 Cb -0.16 -1.69 0.14 0.00 0.35 0.00 0.00 41.96 40.60 1spw s TYR 13 CO -0.01 0.40 0.20 0.34 -1.34 0.00 0.00 175.55 175.14 1spw s ASP 14 N -3.76 3.05 -0.41 4.32 3.68 -1.26 -3.83 116.67 118.46 1spw s ASP 14 Ca 0.36 -2.11 -0.37 0.00 2.13 0.00 0.00 52.55 52.56 1spw s ASP 14 Cb 0.04 -0.42 -0.16 0.00 -1.45 0.00 0.00 42.92 40.93 1spw s ASP 14 CO 0.20 -0.32 1.57 -2.65 0.13 0.00 0.00 175.17 174.09 1spw n PRO 15 N 4.14 0.00 0.00 4.34 -0.02 -1.26 -4.72 135.00 137.48 1spw n PRO 15 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1spw n PRO 15 Cb 0.37 -1.23 0.00 0.00 -0.02 0.00 0.00 33.50 32.62 1spw n PRO 15 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1spw n ALA 16 N 4.92 0.00 -2.64 3.55 0.00 -1.26 -5.03 120.51 120.05 1spw n ALA 16 Ca 0.37 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.71 1spw n ALA 16 Cb -0.04 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.33 1spw n ALA 16 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1spw s PHE 17 N 0.00 0.57 0.61 0.00 5.36 -1.26 -5.17 117.98 118.09 1spw s PHE 17 Ca 0.00 -0.91 -0.10 0.00 -0.96 0.00 0.00 56.93 54.95 1spw s PHE 17 Cb 0.00 -0.15 0.15 0.00 -0.34 0.00 0.00 43.02 42.68 1spw s PHE 17 CO 0.00 -0.73 0.46 -0.85 -1.46 0.00 0.00 175.22 172.64 1spw n GLU 18 N -0.23 -2.55 -1.33 10.12 0.28 -1.26 -4.72 120.64 120.95 1spw n GLU 18 Ca -0.05 -0.74 -0.60 0.00 -0.16 0.00 0.00 57.16 55.62 1spw n GLU 18 Cb 0.63 -0.80 -0.11 0.00 1.43 0.00 0.00 31.44 32.60 1spw n GLU 18 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1spw n ASP 19 N -4.04 1.00 -4.78 -1.84 -0.08 -1.26 -4.84 116.55 100.71 1spw n ASP 19 Ca 0.07 0.70 -0.36 0.00 -1.51 0.00 0.00 54.79 53.69 1spw n ASP 19 Cb 0.27 -0.95 -0.02 0.00 2.34 0.00 0.00 41.12 42.76 1spw n ASP 19 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 1spw s LEU 20 N 5.84 4.01 0.92 -2.67 0.20 -1.26 -5.04 118.68 120.67 1spw s LEU 20 Ca 1.17 2.12 -0.14 0.00 0.69 0.00 0.00 54.13 57.97 1spw s LEU 20 Cb -1.41 -4.31 0.18 0.00 -0.43 0.00 0.00 46.19 40.22 1spw s LEU 20 CO 0.65 -0.76 1.28 -2.16 -0.29 0.00 0.00 176.35 175.07 1spw s PRO 21 N -2.77 0.92 -0.78 0.98 0.04 -1.26 -5.00 135.00 127.13 1spw s PRO 21 Ca 0.63 -0.36 0.02 0.00 0.04 0.00 0.00 61.00 61.33 1spw s PRO 21 Cb -0.23 -1.89 0.34 0.00 0.04 0.00 0.00 34.50 32.75 1spw s PRO 21 CO 0.29 -2.22 1.39 -0.40 0.04 0.00 0.00 177.00 176.09 1spw n ASP 22 N -3.64 5.88 0.00 6.66 5.75 -1.26 -4.68 116.55 125.26 1spw n ASP 22 Ca 0.14 -3.70 0.00 0.00 -0.01 0.00 0.00 54.79 51.22 1spw n ASP 22 Cb 0.60 -0.84 0.00 0.00 -1.03 0.00 0.00 41.12 39.85 1spw n ASP 22 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1spw n ASP 23 N -0.20 0.00 -4.69 -1.12 10.43 -1.26 -5.15 116.55 114.56 1spw n ASP 23 Ca 0.39 0.00 -0.35 0.00 2.57 0.00 0.00 54.79 57.40 1spw n ASP 23 Cb 0.34 0.00 -0.09 0.00 1.84 0.00 0.00 41.12 43.21 1spw n ASP 23 CO 0.00 0.00 0.00 0.86 -1.07 0.00 0.00 177.20 176.99 1spw s TRP 24 N 0.00 3.30 -0.01 1.24 -0.00 -1.26 -5.05 118.94 117.15 1spw s TRP 24 Ca 0.00 0.18 0.05 0.00 -0.00 0.00 0.00 56.10 56.33 1spw s TRP 24 Cb 0.00 -2.00 -0.01 0.00 -0.00 0.00 0.00 33.47 31.46 1spw s TRP 24 CO 0.00 0.32 -0.17 0.00 -0.00 0.00 0.00 176.95 177.10 1spw s ALA 25 N -0.12 1.45 0.19 5.86 0.00 -1.26 -1.46 121.76 126.43 1spw s ALA 25 Ca 0.07 -0.75 -0.33 0.00 0.00 0.00 0.00 51.96 50.95 1spw s ALA 25 Cb -0.12 -0.37 -0.14 0.00 0.00 0.00 0.00 23.12 22.49 1spw s ALA 25 CO 0.01 0.35 1.44 0.00 0.00 0.00 0.00 175.76 177.57 1spw n PRO 27 N 2.55 0.40 0.00 0.00 -0.04 -1.26 -1.98 135.00 134.67 1spw n PRO 27 Ca 0.14 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 1spw n PRO 27 Cb 0.29 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 1spw n PRO 27 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1spw n VAL 28 N -1.15 0.00 -0.17 0.52 0.31 -1.26 -4.82 118.33 111.76 1spw n VAL 28 Ca 0.11 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.41 1spw n VAL 28 Cb 0.10 -0.21 0.04 0.00 -0.91 0.00 0.00 33.84 32.85 1spw n VAL 28 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1spw n GLY 30 N -1.40 0.78 3.45 0.00 0.00 -0.84 -5.02 105.19 102.16 1spw n GLY 30 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 1spw n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1spw n ALA 31 N -1.20 -2.60 -1.61 4.61 0.00 -1.26 -4.27 120.51 114.18 1spw n ALA 31 Ca 0.00 -0.84 -0.29 0.00 0.00 0.00 0.00 53.44 52.31 1spw n ALA 31 Cb 0.00 -1.85 0.13 0.00 0.00 0.00 0.00 19.45 17.73 1spw n ALA 31 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1spw s SER 32 N -2.17 3.56 -0.40 0.00 1.04 -1.26 -1.29 113.70 113.17 1spw s SER 32 Ca 0.61 0.88 -0.06 0.00 0.48 0.00 0.00 55.95 57.85 1spw s SER 32 Cb -0.20 -1.39 -0.17 0.00 0.10 0.00 0.00 66.02 64.36 1spw s SER 32 CO 0.65 -2.51 3.33 2.29 0.98 0.00 0.00 173.24 177.98 1spw n LYS 33 N -3.73 2.46 -0.03 4.02 2.85 -0.53 -3.66 118.16 119.55 1spw n LYS 33 Ca 0.08 -1.52 -0.03 0.00 -1.05 0.00 0.00 58.31 55.78 1spw n LYS 33 Cb 0.60 -2.18 -0.03 0.00 -0.65 0.00 0.00 35.03 32.77 1spw n LYS 33 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1spw n ASP 34 N 2.39 3.67 0.22 -5.58 2.03 -1.26 -4.56 116.55 113.45 1spw n ASP 34 Ca 0.51 -0.02 0.15 0.00 0.52 0.00 0.00 54.79 55.94 1spw n ASP 34 Cb 0.72 0.06 0.49 0.00 -0.72 0.00 0.00 41.12 41.66 1spw n ASP 34 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1spw h ALA 35 N 0.04 1.00 -2.71 -1.67 0.00 -1.96 -3.44 119.26 110.52 1spw h ALA 35 Ca -0.12 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.27 1spw h ALA 35 Cb 1.20 0.00 0.05 0.00 0.00 0.00 0.00 17.79 19.04 1spw h ALA 35 CO -0.01 0.00 0.79 -0.06 0.00 0.00 0.00 179.25 179.97 1spw s PHE 36 N -3.42 3.02 -0.00 0.00 0.40 -1.26 -3.94 117.98 112.78 1spw s PHE 36 Ca 0.04 0.91 -0.00 0.00 -0.60 0.00 0.00 56.93 57.28 1spw s PHE 36 Cb 0.08 -3.85 -0.00 0.00 0.51 0.00 0.00 43.02 39.76 1spw s PHE 36 CO 0.56 -2.89 0.00 -2.00 0.70 0.00 0.00 175.22 171.59 1spw s GLU 37 N 0.06 0.02 0.35 0.44 2.12 -1.24 -5.01 118.70 115.44 1spw s GLU 37 Ca 0.62 -0.02 -0.28 0.00 0.36 0.00 0.00 54.97 55.65 1spw s GLU 37 Cb -0.42 0.01 -0.10 0.00 0.26 0.00 0.00 34.13 33.87 1spw s GLU 37 CO 0.40 -0.00 1.35 0.21 -0.54 0.00 0.00 175.26 176.68 1spw s LYS 38 N -0.06 4.25 0.00 4.30 2.20 -1.26 -3.74 119.74 125.43 1spw s LYS 38 Ca -0.01 2.29 0.00 0.00 -0.36 0.00 0.00 55.97 57.90 1spw s LYS 38 Cb -0.00 -3.01 0.00 0.00 -1.51 0.00 0.00 37.83 33.31 1spw s LYS 38 CO -0.00 -0.31 0.00 0.00 -0.36 0.00 0.00 175.35 174.68